Vitas-M small molecule compound

3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoic acid

Catalog ID
STK065329
SMILES Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H15N5O7S MW 457.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O7S/c1-11-6-7-20-19(21-11)23-32(30,31)16-4-2-14(3-5-16)22-17(25)12-8-13(18(26)27)10-15(9-12)24(28)29/h2-10H,1H3,(H,22,25)(H,26,27)(H,20,21,23)
InChIKey
XXXUZZAXDYNMDX-UHFFFAOYSA-N
Synonyms
524032-53-9
3((4((4METHYLPYRIMIDIN2YL)SULFAMOYL)PHENYL)CARBAMOYL)5NITROBENZOICACID
5(N(4(((4METHYLPYRIMIDIN2YL)AMINO)SULFONYL)PHENYL)CARBAMOYL)3NITROBENZOICACID
524032539
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)O
Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)O)(N+)(=O)(O)
InChI=1SC19H15N5O7Sc111672019(2111)2332(3031)164214(3516)2217(25)12813(18(26)27)1015(912)24(28)29h210H1H3(H2225)(H2627)(H202123)
MFCD03614735
STK065329
ZINC000020146238
ZINC20146238

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.